(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C11H13ClF3N — CID 156594473

IUPAC(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCCc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-1-4-8-7(9)3-2-6-10(8)15;/h1,4-5,10H,2-3,6,15H2;1H/t10-;/m1./s1
InChIKeyDDUGEEHWCMBQPR-HNCPQSOCSA-N
MW251.68 g/mol
LogP3.46
Rot. Bonds

About (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 156594473) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID156594473
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCCc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-1-4-8-7(9)3-2-6-10(8)15;/h1,4-5,10H,2-3,6,15H2;1H/t10-;/m1./s1
InChIKeyDDUGEEHWCMBQPR-HNCPQSOCSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131365388
(1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131613298
(1R)-5-[4-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 164817442
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456111
5-hydrazinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55280830
5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 130044186
(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
CID 46911909
5-[2-(trifluoromethylsulfanyl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 116615123
2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007715
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131122901

Frequently Asked Questions

What is the IUPAC name of (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 156594473) is (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is Cl.N[C@@H]1CCCc2c1cccc2C(F)(F)F.
What is the InChIKey of (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is DDUGEEHWCMBQPR-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-1-4-8-7(9)3-2-6-10(8)15;/h1,4-5,10H,2-3,6,15H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 251.68 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 156594473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).